NHI 2

Base Information

• Chemical Name: NHI 2
• CAS No.: 1269802-97-2
• Molecular Formula: C₁₇H₁₂F₃NO₃
• Molecular Weight: 335.282
• Mol file: 1269802-97-2.mol

Synonyms:NHI 2

Chemical Property of NHI 2

Chemical Property:

Purity/Quality:

≥98% by HPLC ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of NHI 2

There total 5 articles about NHI 2 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 76.0%

methyl 3-(3-nitro-5-(trifluoromethyl)biphenyl-4-yl)-2-oxopropanoate (1269802-85-8) → methyl 1-hydroxy-6-phenyl-4-(trifluoromethyl)-1H-indole-2-carboxylate (1269802-97-2)

Guidance literature:

With tin(ll) chloride; In 1,2-dimethoxyethane; at 0 - 20 ℃; for 16h; Molecular sieve; Inert atmosphere;

DOI:10.1021/jm201734r

Reference yield:

4-methyl-3-nitro-5-(trifluoromethyl)biphenyl (1269802-76-7) → methyl 1-hydroxy-6-phenyl-4-(trifluoromethyl)-1H-indole-2-carboxylate (1269802-97-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium tert-butylate / methanol; diethyl ether / 0.25 h / 0 °C / Inert atmosphere

1.2: 0 - 20 °C / Inert atmosphere

2.1: tin(II) chloride dihdyrate / 1,2-dimethoxyethane / 0 - 20 °C / Molecular sieve; Inert atmosphere

With tin(II) chloride dihdyrate; potassium tert-butylate; In methanol; 1,2-dimethoxyethane; diethyl ether;

DOI:10.1021/jm101007q

Reference yield:

5-iodo-2-methyl-1-nitro-3-(trifluoromethyl)benzene (259667-65-7) → methyl 1-hydroxy-6-phenyl-4-(trifluoromethyl)-1H-indole-2-carboxylate (1269802-97-2)

Guidance literature:

Multi-step reaction with 3 steps

1.1: tetrabutylammomium bromide; palladium diacetate; sodium carbonate / water / 0.08 h / 150 °C / Microwave irradiation

2.1: potassium tert-butylate / methanol; diethyl ether / 0.25 h / 0 °C / Inert atmosphere

2.2: 0 - 20 °C / Inert atmosphere

3.1: tin(II) chloride dihdyrate / 1,2-dimethoxyethane / 0 - 20 °C / Molecular sieve; Inert atmosphere

With tin(II) chloride dihdyrate; potassium tert-butylate; tetrabutylammomium bromide; palladium diacetate; sodium carbonate; In methanol; 1,2-dimethoxyethane; diethyl ether; water;

DOI:10.1021/jm101007q

upstream raw materials:

4-methyl-3-nitro-5-(trifluoromethyl)biphenyl

methyl 3-(3-nitro-5-(trifluoromethyl)biphenyl-4-yl)-2-oxopropanoate

5-iodo-2-methyl-1-nitro-3-(trifluoromethyl)benzene

phenylboronic acid

Downstream raw materials:

1-hydroxy-6-phenyl-4-(trifluoromethyl)-1H-indole-2-carboxylic acid

methyl 6-phenyl-1-(β-D-glucopyranosyl)oxy-4-(trifluoromethyl)-1H-indole-2-carboxylate

6-phenyl-1-(β-D-2,3,4,6-tetra-O-acetylglucopyranosyl)oxy-4-(trifluoromethyl)-1H-indole-2-carboxylic acid

methyl 6-phenyl-4-(trifluoromethyl)-1-(((2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(((tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-1H-indole-2-carboxylate